ethyl 2-methylpentan-3-yl carbonate

C9H18O3 — CID 23451734

IUPACethyl 2-methylpentan-3-yl carbonate
SMILESCCOC(=O)OC(CC)C(C)C
InChIInChI=1S/C9H18O3/c1-5-8(7(3)4)12-9(10)11-6-2/h7-8H,5-6H2,1-4H3
InChIKeyDLPOJRFSTVLOPW-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.59
Rot. Bonds4

About ethyl 2-methylpentan-3-yl carbonate

ethyl 2-methylpentan-3-yl carbonate (PubChem CID 23451734) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethyl 2-methylpentan-3-yl carbonate.

Molecular Properties

Compound Nameethyl 2-methylpentan-3-yl carbonate
PubChem CID23451734
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Nameethyl 2-methylpentan-3-yl carbonate
SMILESCCOC(=O)OC(CC)C(C)C
InChIInChI=1S/C9H18O3/c1-5-8(7(3)4)12-9(10)11-6-2/h7-8H,5-6H2,1-4H3
InChIKeyDLPOJRFSTVLOPW-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-ethoxycarbonyloxy-2-propylpentanoate
CID 122517341
2-methylpentan-3-yl 2-methylbutanoate
CID 118880075
ethyl 1-fluoroethyl carbonate
CID 11491942
ethyl 1-propan-2-yloxyethyl carbonate
CID 118149585
3,3-dichlorobutan-2-yl ethyl carbonate
CID 71338645
ethyl 1-thiocyanatoethyl carbonate
CID 14026954
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
ethyl 4-hydroxypentan-2-yl carbonate
CID 131742457
1-cyclopropylethyl ethyl carbonate
CID 173016533
but-3-en-2-yl ethyl carbonate
CID 11137281
ethyl 1-sulfanyloxypropyl carbonate
CID 123644119
[(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate
CID 88881986

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpentan-3-yl carbonate?
The IUPAC name of ethyl 2-methylpentan-3-yl carbonate (CID 23451734) is ethyl 2-methylpentan-3-yl carbonate.
What is the SMILES notation for ethyl 2-methylpentan-3-yl carbonate?
The canonical SMILES for ethyl 2-methylpentan-3-yl carbonate is CCOC(=O)OC(CC)C(C)C.
What is the InChIKey of ethyl 2-methylpentan-3-yl carbonate?
The InChIKey is DLPOJRFSTVLOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-8(7(3)4)12-9(10)11-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of ethyl 2-methylpentan-3-yl carbonate?
ethyl 2-methylpentan-3-yl carbonate has a molecular weight of 174.24 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpentan-3-yl carbonate is sourced from PubChem (CID 23451734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).